4-[5-(difluoromethyl)-1-methyl-3-pyridin-4-ylpyrazol-4-yl]benzenesulfonamide

C16H14F2N4O2S — CID 19355755

IUPAC4-[5-(difluoromethyl)-1-methyl-3-pyridin-4-ylpyrazol-4-yl]benzenesulfonamide
SMILESCn1nc(-c2ccncc2)c(-c2ccc(S(N)(=O)=O)cc2)c1C(F)F
InChIInChI=1S/C16H14F2N4O2S/c1-22-15(16(17)18)13(14(21-22)11-6-8-20-9-7-11)10-2-4-12(5-3-10)25(19,23)24/h2-9,16H,1H3,(H2,19,23,24)
InChIKeyRJXKWCOQMFLHOM-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.73
Rot. Bonds4

About 4-[5-(difluoromethyl)-1-methyl-3-pyridin-4-ylpyrazol-4-yl]benzenesulfonamide

4-[5-(difluoromethyl)-1-methyl-3-pyridin-4-ylpyrazol-4-yl]benzenesulfonamide (PubChem CID 19355755) has the molecular formula C16H14F2N4O2S and a molecular weight of 364.38 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1-methyl-3-pyridin-4-ylpyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1-methyl-3-pyridin-4-ylpyrazol-4-yl]benzenesulfonamide
PubChem CID19355755
Molecular FormulaC16H14F2N4O2S
Molecular Weight364.38 g/mol
Exact Mass364.08
IUPAC Name4-[5-(difluoromethyl)-1-methyl-3-pyridin-4-ylpyrazol-4-yl]benzenesulfonamide
SMILESCn1nc(-c2ccncc2)c(-c2ccc(S(N)(=O)=O)cc2)c1C(F)F
InChIInChI=1S/C16H14F2N4O2S/c1-22-15(16(17)18)13(14(21-22)11-6-8-20-9-7-11)10-2-4-12(5-3-10)25(19,23)24/h2-9,16H,1H3,(H2,19,23,24)
InChIKeyRJXKWCOQMFLHOM-UHFFFAOYSA-N
XLogP2.73
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Vonoprazan
CID 15981397
4-[4-(Pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 127025293
N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]methyl]prop-2-en-1-amine
CID 11706478
Pyridine-based ligand, 12
CID 4450789
(4R,6S)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890880
(4S,6R)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890881
(4S,6S)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890882
(4R,6R)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890883
4'-Cyclopropyl-7',7'-difluoro-5'-(6-(trifluoromethyl)pyridin-3-ylsulfonyl)-1',4',5',7'-tetrahydro spiro[cyclopropane-1,6'-pyrazolo[4,3-C]pyridine] (enantiomeric mix)
CID 46891052
(1S,8R)-13-fluoro-15-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene
CID 71552253
4-[1-(4-Methylsulfonylphenyl)pyrazol-4-yl]pyridine
CID 3620985
4'',5''-Difluoro-2''-(6-methyl-pyridin-3-yl)-biphenyl-4-sulfonic acid amide
CID 10713528

Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1-methyl-3-pyridin-4-ylpyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(difluoromethyl)-1-methyl-3-pyridin-4-ylpyrazol-4-yl]benzenesulfonamide (CID 19355755) is 4-[5-(difluoromethyl)-1-methyl-3-pyridin-4-ylpyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(difluoromethyl)-1-methyl-3-pyridin-4-ylpyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(difluoromethyl)-1-methyl-3-pyridin-4-ylpyrazol-4-yl]benzenesulfonamide is Cn1nc(-c2ccncc2)c(-c2ccc(S(N)(=O)=O)cc2)c1C(F)F.
What is the InChIKey of 4-[5-(difluoromethyl)-1-methyl-3-pyridin-4-ylpyrazol-4-yl]benzenesulfonamide?
The InChIKey is RJXKWCOQMFLHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O2S/c1-22-15(16(17)18)13(14(21-22)11-6-8-20-9-7-11)10-2-4-12(5-3-10)25(19,23)24/h2-9,16H,1H3,(H2,19,23,24).
What are the key properties of 4-[5-(difluoromethyl)-1-methyl-3-pyridin-4-ylpyrazol-4-yl]benzenesulfonamide?
4-[5-(difluoromethyl)-1-methyl-3-pyridin-4-ylpyrazol-4-yl]benzenesulfonamide has a molecular weight of 364.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-1-methyl-3-pyridin-4-ylpyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 19355755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).